8-(2-phenylmethoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-(2-phenylmethoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-(2-benzyloxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(2-phenylmethoxyphenoxy)octyl ester IUPAC Name: 8-(2-phenylmethoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(2-benzoxyphenoxy)octyl ester Formula: C28H34NO4+ MolecularWeight: 448.57386

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C28H34NO4/c1-29-19-13-16-25(22-29)28(30)32-21-12-5-3-2-4-11-20-31-26-17-9-10-18-27(26)33-23-24-14-7-6-8-15-24/h6-10,13-19,22H,2-5,11-12,20-21,23H2,1H3/q+1